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(±)-4-Phenyl-2-butyl acetate

(±)-4-Phenyl-2-butyl acetate structure

CAS No:
10415-88-0
Formula:
C12H16O2
Chemical Name:
(±)-4-Phenyl-2-butyl acetate
Synonyms:
Benzenepropanol,α-methyl-,1-acetate;2-Butanol,4-phenyl-,acetate;Benzenepropanol,α-methyl-,acetate;1-Phenyl-3-acetoxybutane;1-Methyl-3-phenylpropyl acetate;4-Phenyl-2-butyl acetate;(±)-4-Phenyl-2-butyl acetate;3-Phenyl-1-methyl-propyl acetate;59960-25-7

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Description

colourless oily liquid with a mild, green, fruity odour

4-Phenyl-2-butyl acetate is a member of benzenes.

(±)-4-Phenyl-2-butyl acetate Basic Attributes

Molecular Weight：

192.25400

Exact Mass：

192.25

EC Number：

233-890-6

HScode：

2915390090

Characteristics

PSA：

26.30000

XLogP3：

2.57080

Density：

0.9989 g/cm³ @ Temp: 20 °C

Boiling Point：

84-86 °C @ Press: 1.5-2 Torr

Flash Point：

112.8ºC

Refractive Index：

1.495

Water Solubility：

insoluble in water; soluble in organic solvents, oils|miscible at room temperature (in ethanol)

Vapor Pressure：

0.00547mmHg at 25°C

Safety Information

safety instructions：

S24/25

(±)-4-Phenyl-2-butyl acetate Use and Manufacturing

Manufacturing Info：

Benzenepropanol, .alpha.-methyl-, 1-acetate: INACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:192.25
XLogP3:2.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:192.115029749
Monoisotopic Mass:192.115029749
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:171
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (±)-4-Phenyl-2-butyl acetate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

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